CID 121597168

4-(trimethoxymethyl)oxane

Structural Information

Molecular Formula
C9H18O4
SMILES
COC(C1CCOCC1)(OC)OC
InChI
InChI=1S/C9H18O4/c1-10-9(11-2,12-3)8-4-6-13-7-5-8/h8H,4-7H2,1-3H3
InChIKey
KIUXMKKSPICIKQ-UHFFFAOYSA-N
Compound name
4-(trimethoxymethyl)oxane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

190.12051 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.12779 140.9
[M+Na]+ 213.10973 145.6
[M-H]- 189.11323 144.3
[M+NH4]+ 208.15433 159.1
[M+K]+ 229.08367 147.8
[M+H-H2O]+ 173.11777 135.4
[M+HCOO]- 235.11871 159.7
[M+CH3COO]- 249.13436 180.9
[M+Na-2H]- 211.09518 148.2
[M]+ 190.11996 142.6
[M]- 190.12106 142.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.